N-(2-chloranyl-4-methyl-phenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazino]propionamide Formula: C20H23ClN4O5S MolecularWeight: 466.93842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H23ClN4O5S/c1-14-6-7-19(18(21)12-14)22-20(26)15(2)23-8-10-24(11-9-23)31(29,30)17-5-3-4-16(13-17)25(27)28/h3-7,12-13,15H,8-11H2,1-2H3,(H,22,26)